ChemSpider 2D Image | (3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)-3-pyrrolidinol | C16H25N5O3S

(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)-3-pyrrolidinol

  • Molecular FormulaC16H25N5O3S
  • Average mass367.466 Da
  • Monoisotopic mass367.167816 Da
  • ChemSpider ID35034809

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)-3-pyrrolidinol [German] [ACD/IUPAC Name]
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)-3-pyrrolidinol [ACD/IUPAC Name]
(3R,4S)-1-[(4-Amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)méthyl]-4-({[2-(2-hydroxyéthoxy)éthyl]sulfanyl}méthyl)-3-pyrrolidinol [French] [ACD/IUPAC Name]
(3r,4s)-1-[(4-Amino-5h-Pyrrolo[3,2-D]pyrimidin-7-Yl)methyl]-4-({[2-(2-Hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-Ol
3-Pyrrolidinol, 1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[[[2-(2-hydroxyethoxy)ethyl]thio]methyl]-, (3R,4S)- [ACD/Index Name]
2EL

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 666.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 100.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -1.91
ACD/LogD (pH 5.5): -2.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.39
Polar Surface Area: 146 Å2
Polarizability: 39.6±0.5 10-24cm3
Surface Tension: 83.4±3.0 dyne/cm
Molar Volume: 261.2±3.0 cm3

Click to predict properties on the Chemicalize site


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